4 datasets found

Formats: JSON Tags: Materials Project

Filter Results

  • MP-20

    Crystal structure generation and property optimization

  • Materials Project

    The dataset used to train the crystal graph convolutional neural networks (CGCNN) model to visualize the compositional and structural similarities between materials in an...

  • CHGNet dataset

    The dataset used for training and testing the CHGNet model, containing energies, forces, stresses, and magnetic moments of inorganic materials.

  • Materials Project Trajectory Dataset

    The Materials Project Trajectory Dataset is a comprehensive collection of DFT calculations on inorganic materials, including energies, forces, stresses, and magnetic moments.
You can also access this registry using the API (see API Docs).